1.0 2010-04-08 22:15:37 UTC 2019-11-26 03:20:11 UTC FDB021312 Garciduol B Constituent of Garcinia dulcis (mundu). Garciduol B is found in fruits. Garciduol B C27H18O10 502.4258 502.089996796 2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxy-9H-xanthen-9-one 2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxyxanthen-9-one 176257-86-6 COC1=C(C(O)=C(C(=O)C2=CC(O)=CC=C2)C(O)=C1)C1=CC(O)=C2OC3=C(C=CC=C3O)C(=O)C2=C1O InChI=1S/C27H18O10/c1-36-18-10-16(30)20(22(32)11-4-2-5-12(28)8-11)25(35)19(18)14-9-17(31)27-21(24(14)34)23(33)13-6-3-7-15(29)26(13)37-27/h2-10,28-31,34-35H,1H3 XKZFGJPNYONQOM-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl-phenylketones Benzophenones Benzoyl derivatives Biphenols Chromones Diphenylmethanes Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Pyranones and derivatives Resorcinols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Aryl-phenylketone Benzenoid Benzophenone Benzoyl Biphenol Chromone Diphenylmethane Ether Heteroaromatic compound Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Resorcinol Vinylogous acid Xanthone logp 3.83 ALOGPS logs -4.28 ALOGPS solubility 2.61e-02 g/l ALOGPS logp 6.04 ChemAxon pka_strongest_acidic 7.13 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxy-9H-xanthen-9-one ChemAxon average_mass 502.4258 ChemAxon mono_mass 502.089996796 ChemAxon smiles COC1=C(C(O)=C(C(=O)C2=CC(O)=CC=C2)C(O)=C1)C1=CC(O)=C2OC3=C(C=CC=C3O)C(=O)C2=C1O ChemAxon formula C27H18O10 ChemAxon inchi InChI=1S/C27H18O10/c1-36-18-10-16(30)20(22(32)11-4-2-5-12(28)8-11)25(35)19(18)14-9-17(31)27-21(24(14)34)23(33)13-6-3-7-15(29)26(13)37-27/h2-10,28-31,34-35H,1H3 ChemAxon inchikey XKZFGJPNYONQOM-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 130.88 ChemAxon polarizability 49.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23246 Specdb::CMs 47286 Specdb::MsMs 317590 Specdb::MsMs 317591 Specdb::MsMs 317592 Specdb::MsMs 364093 Specdb::MsMs 364094 Specdb::MsMs 364095 Specdb::MsMs 2817153 Specdb::MsMs 2817154 Specdb::MsMs 2817155 Specdb::MsMs 2888632 Specdb::MsMs 2888633 Specdb::MsMs 2888634 HMDB41381 #<Reference:0x000055ce335bee90> Fruits Unknown generic